3-(propylamino)but-3-en-1-ol

C7H15NO — CID 143644846

IUPAC3-(propylamino)but-3-en-1-ol
SMILESC=C(CCO)NCCC
InChIInChI=1S/C7H15NO/c1-3-5-8-7(2)4-6-9/h8-9H,2-6H2,1H3
InChIKeyKGFAUWBXIKAAEM-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.88
Rot. Bonds5

About 3-(propylamino)but-3-en-1-ol

3-(propylamino)but-3-en-1-ol (PubChem CID 143644846) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(propylamino)but-3-en-1-ol.

Molecular Properties

Compound Name3-(propylamino)but-3-en-1-ol
PubChem CID143644846
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(propylamino)but-3-en-1-ol
SMILESC=C(CCO)NCCC
InChIInChI=1S/C7H15NO/c1-3-5-8-7(2)4-6-9/h8-9H,2-6H2,1H3
InChIKeyKGFAUWBXIKAAEM-UHFFFAOYSA-N
XLogP0.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)but-3-en-1-ol?
The IUPAC name of 3-(propylamino)but-3-en-1-ol (CID 143644846) is 3-(propylamino)but-3-en-1-ol.
What is the SMILES notation for 3-(propylamino)but-3-en-1-ol?
The canonical SMILES for 3-(propylamino)but-3-en-1-ol is C=C(CCO)NCCC.
What is the InChIKey of 3-(propylamino)but-3-en-1-ol?
The InChIKey is KGFAUWBXIKAAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-5-8-7(2)4-6-9/h8-9H,2-6H2,1H3.
What are the key properties of 3-(propylamino)but-3-en-1-ol?
3-(propylamino)but-3-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)but-3-en-1-ol is sourced from PubChem (CID 143644846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).